3AK
Summary
| Name: | 1-benzyl-1H-indole-2,3-dione |
| Formula: | C15 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 237.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-benzyl-1H-indole-2,3-dione |
| OpenEye OEToolkits | 1.7.6 | 1-(phenylmethyl)indole-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1ccccc1N(C2=O)Cc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | InChI | 1.03 | SIISFRLGYDVIRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1N(Cc2ccccc2)c3ccccc3C1=O |
| SMILES | CACTVS | 3.370 | O=C1N(Cc2ccccc2)c3ccccc3C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CN2c3ccccc3C(=O)C2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CN2c3ccccc3C(=O)C2=O |
